(2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol

C20H25N3OS — CID 51493777

IUPAC(2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
SMILESCc1ccsc1CN(Cc1cncn1Cc1ccccc1)C[C@@H](C)O
InChIInChI=1S/C20H25N3OS/c1-16-8-9-25-20(16)14-22(11-17(2)24)13-19-10-21-15-23(19)12-18-6-4-3-5-7-18/h3-10,15,17,24H,11-14H2,1-2H3/t17-/m1/s1
InChIKeySVOUFNSZOJISGA-QGZVFWFLSA-N
MW355.51 g/mol
LogP3.68
Rot. Bonds8

About (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol

(2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol (PubChem CID 51493777) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
PubChem CID51493777
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name(2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol
SMILESCc1ccsc1CN(Cc1cncn1Cc1ccccc1)C[C@@H](C)O
InChIInChI=1S/C20H25N3OS/c1-16-8-9-25-20(16)14-22(11-17(2)24)13-19-10-21-15-23(19)12-18-6-4-3-5-7-18/h3-10,15,17,24H,11-14H2,1-2H3/t17-/m1/s1
InChIKeySVOUFNSZOJISGA-QGZVFWFLSA-N
XLogP3.68
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol (CID 51493777) is (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol is Cc1ccsc1CN(Cc1cncn1Cc1ccccc1)C[C@@H](C)O.
What is the InChIKey of (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The InChIKey is SVOUFNSZOJISGA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-16-8-9-25-20(16)14-22(11-17(2)24)13-19-10-21-15-23(19)12-18-6-4-3-5-7-18/h3-10,15,17,24H,11-14H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol?
(2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol has a molecular weight of 355.51 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-benzylimidazol-4-yl)methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 51493777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).